chempirical

4-Fluoro-2-(trifluoromethyl)benzamide

C8H5F4NOCAS 207919-06-0207.13 g/mol

Open in Covalent MOL file
H2NOFFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H5F4NO
Molar mass
207.13 g/mol
Exact mass
207.0307 Da
logP
2.73Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
207919-06-0
SMILES
N=C(O)c1ccc(F)cc1C(F)(F)F
InChIKey
HRJKVZCCWLPFMF-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F4NO/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H2,13,14)

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Names and synonyms

1 names
  • Benzamide, 4-fluoro-2-(trifluoromethyl)-

Work with 4-Fluoro-2-(trifluoromethyl)benzamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Bis(trifluoromethyl)benzamide53130-45-369 % similar 2-(Trifluoromethyl)benzamide360-64-560 % similar 2,4-Difluorobenzamide85118-02-160 % similar 2,5-Difluorobenzamide85118-03-256 % similar 1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-154 % similar 2-Amino-5-fluorobenzamide63069-49-853 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-750 % similar 4-Trifluoromethylnicotinamide158062-71-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Fluoro-3-(trifluoromethyl)benzamide67515-57-5

Elsewhere

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